[acetyloxy-methyl-(2-phenylethyl)silyl] acetate

C13H18O4Si — CID 54139822

IUPAC[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
SMILESCC(=O)O[Si](C)(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C13H18O4Si/c1-11(14)16-18(3,17-12(2)15)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyOAHTXWAQKVPWPB-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.43
Rot. Bonds5

About [acetyloxy-methyl-(2-phenylethyl)silyl] acetate

[acetyloxy-methyl-(2-phenylethyl)silyl] acetate (PubChem CID 54139822) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is [acetyloxy-methyl-(2-phenylethyl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
PubChem CID54139822
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Name[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
SMILESCC(=O)O[Si](C)(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C13H18O4Si/c1-11(14)16-18(3,17-12(2)15)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyOAHTXWAQKVPWPB-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl acetate
CID 7654
[acetyloxy-[8-[diacetyloxy(methyl)silyl]octyl]-methylsilyl] acetate
CID 154117413
5-[dimethyl(2-phenylethyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
CID 68788821
3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid
CID 68785004
acetic acid;2-phenylethyl acetate
CID 174791962
trimethylsilyl 4-phenylbutanoate
CID 523833
[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate
CID 101400773
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-phenylethylsilyl acetate
CID 175587569
2-[[[dimethyl(2-phenylethyl)silyl]amino]-dimethylsilyl]ethylbenzene
CID 12890431
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-methyl-(2-phenylethyl)silyl] acetate?
The IUPAC name of [acetyloxy-methyl-(2-phenylethyl)silyl] acetate (CID 54139822) is [acetyloxy-methyl-(2-phenylethyl)silyl] acetate.
What is the SMILES notation for [acetyloxy-methyl-(2-phenylethyl)silyl] acetate?
The canonical SMILES for [acetyloxy-methyl-(2-phenylethyl)silyl] acetate is CC(=O)O[Si](C)(CCc1ccccc1)OC(C)=O.
What is the InChIKey of [acetyloxy-methyl-(2-phenylethyl)silyl] acetate?
The InChIKey is OAHTXWAQKVPWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-11(14)16-18(3,17-12(2)15)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of [acetyloxy-methyl-(2-phenylethyl)silyl] acetate?
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate has a molecular weight of 266.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-methyl-(2-phenylethyl)silyl] acetate is sourced from PubChem (CID 54139822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).